SCHEMBL1945933

SCHEMBL1945933

COc1ccc(Cn2nc(SC3CCN(C(=O)OC(C)(C)C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
SRC P12931 1/20 0.36
GCK P35557 1/20 0.36
STS P08842 1/20 0.36
SLC2A1 P11166 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
DNMT3A Q9Y6K1 1/20 0.35
PREP P48147 2/20 0.35
EPHX2 P34913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1944325 0.92 MET (0.34) ALDH1A1HTT
SCHEMBL3114724 0.89 BACE1 (0.39) KDM1AALDH1A1BACE1CTSDCTSE
SCHEMBL3101367 0.89 ALDH1A1 (0.41) KDM1AALDH1A1BACE1CTSDCTSE
SCHEMBL3106664 0.88 ALDH1A1 (0.45) KDM1AALDH1A1BACE1CTSDCTSE
SCHEMBL1944319 0.88 GPR119 (0.41) KDM1AALDH1A1BACE1CTSDCTSE
SCHEMBL1944155 0.87 SLC2A1 (0.42) KDM1AALDH1A1BACE1CTSDCTSE
SCHEMBL3097478 0.86 KDM1A (0.41) KDM1AALDH1A1GPR119
SCHEMBL3095415 0.84 SRC (0.38) KDM1AALDH1A1SRCSTSTP53
SCHEMBL5144054 0.84 SRC (0.38) KDM1AALDH1A1SRCSTSTP53
SCHEMBL3112880 0.84 SRC (0.38) KDM1AALDH1A1SRCSTSTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
EP-2193130-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-06-09 EP disclosed
WO-2009033084-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-03-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK KDM1A 2862/4885ALDH1A1 1744/4885BACE1 2505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.